Botryosphaerinone (CHEBI:199038)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Botryosphaerinone

ChEBI ID	CHEBI:199038

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H18O3

Net Charge

Average Mass

210.273

Monoisotopic Mass

210.12559

InChI

InChI=1S/C12H18O3/c1-2-3-4-5-9-6-11(13)7-10(9)8-12(14)15/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m0/s1

InChIKey

AUAYBDNKDWXWEX-CMIOBCHKSA-N

SMILES

O=C1C[C@@H](CC(=O)O)[C@H](C1)C/C=C\CC

Metabolite of Species	Details
Botryosphaeria (NCBI:txid45132)	See: DOI

ChEBI Ontology
Outgoing	Botryosphaerinone (CHEBI:199038) is a cyclic ketone (CHEBI:3992)

IUPAC Name

2-[(1S,2S)-4-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid